2-Bromo-3-methyl-2-cyclopenten-1-one

HCID 4437009
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Basic information

CAS
80963-36-6
Standard SMILES
CC1=C(Br)C(=O)CC1
InChIKey
MXQAQVMJIDGQDO-UHFFFAOYSA-N
Molecular formula
C6H7BrO
Average molar mass
175.02 g/mol
Monoisotopic mass
173.96802694

Names & identifiers

Preferred name
2-Bromo-3-methyl-2-cyclopenten-1-one
IUPAC
2-bromo-3-methylcyclopent-2-en-1-one
English name
2-Bromo-3-methyl-2-cyclopenten-1-one
Molecular formula
C6H7BrO
Molecular weight
175.02

Names & synonyms

2-Bromo-3-methyl-2-cyclopenten-1-one80963-36-6DTXSID90403283RefChem:257084DTXCID603541372-bromo-3-methylcyclopent-2-en-1-oneSCHEMBL1340249MXQAQVMJIDGQDO-UHFFFAOYSA-N2-Bromo-3-methyl-cyclopent-2-enoneAKOS0158344082-bromo-3-methyl-2-cyclopentene-1-oneAS-81307
Show more names
2-Bromo-3-methylcyclopent-2-enone2-Cyclopenten-1-one, 2-bromo-3-methyl-2-Bromo-3-methyl-2-cyclopenten-1-one 98%2-BROMO-3-METHYL-2-CYCLOPENTEN-1-ONE, 98
DB-0757222-Bromo-3-methyl-2-cyclopenten-1-one, 98%G78413

Database identifiers

CAS
80963-36-6
PubChem CID
4437009
DTXSID
DTXSID90403283
Nikkaji
J728.591D

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Melting point
53 · 53-56 °C (lit.)
Boiling point
225.7 · 225.7±39.0 °C(Predicted)
Density
1.607 · 1.607±0.06 g/cm3(Predicted)
Flash point
230 °F · >230 °F
form
solid
InChI
1S/C6H7BrO/c1-4-2-3-5(8)6(4)7/h2-3H2,1H3

Safety & regulation

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
Storage Class
13 - Non Combustible Solids

Chemistry & industry

Upstream & downstream products

Suppliers10 total

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]

Related reactions

14 records
New reaction record

Compound notes

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